COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554466
Chemical Name: 3-{[(2E)-2-(acetylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)prop-2-enoyl]amino}benzoicacid
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C(=O)O

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Molecular Weight: 494.52
Empirical Formula: C25H22N2O7S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.523
Rotatable bonds: 4
H-donors: 3
H-acceptors: 7
PSA: 147
Number of rings: 3

     

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